2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide

C16H23ClN2O4S — CID 51204778

IUPAC2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N2CC(C)CC(C)C2)ccc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-11-7-12(2)10-19(9-11)16(20)13-5-6-14(17)15(8-13)24(21,22)18(3)23-4/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKeyOLBQDZPJJSSSJD-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.64
Rot. Bonds4

About 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide

2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 51204778) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide
PubChem CID51204778
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N2CC(C)CC(C)C2)ccc1Cl
InChIInChI=1S/C16H23ClN2O4S/c1-11-7-12(2)10-19(9-11)16(20)13-5-6-14(17)15(8-13)24(21,22)18(3)23-4/h5-6,8,11-12H,7,9-10H2,1-4H3
InChIKeyOLBQDZPJJSSSJD-UHFFFAOYSA-N
XLogP2.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methoxy-N-methyl-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 39580688
2-chloro-N-methoxy-N-methyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56533013
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55765667
2-chloro-5-(3,4-dimethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 79187613
[(3S,5R)-5-methyl-2-oxooxolan-3-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722309
4-chloro-N-cyclooctyl-3-[methoxy(methyl)sulfamoyl]benzamide
CID 26244416
1-[4-chloro-3-[methoxy(methyl)sulfamoyl]benzoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669392
2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 55873945
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
[(2S)-3-oxobutan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722317
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide (CID 51204778) is 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1cc(C(=O)N2CC(C)CC(C)C2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is OLBQDZPJJSSSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-11-7-12(2)10-19(9-11)16(20)13-5-6-14(17)15(8-13)24(21,22)18(3)23-4/h5-6,8,11-12H,7,9-10H2,1-4H3.
What are the key properties of 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide?
2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 374.89 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,5-dimethylpiperidine-1-carbonyl)-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 51204778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).